CID 130115454

6-bromo-2-chloro-1h-imidazo[4,5-b]pyrazine

Structural Information

Molecular Formula
C5H2BrClN4
SMILES
C1=C(N=C2C(=N1)N=C(N2)Cl)Br
InChI
InChI=1S/C5H2BrClN4/c6-2-1-8-3-4(9-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKey
XFXYCKYBPJVKHW-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3H-imidazo[4,5-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91515 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.922426 131.6
[M+Na]+ 254.904368 148.5
[M-H]- 230.907874 133.6
[M+NH4]+ 249.948973 151.6
[M+K]+ 270.878308 135.4
[M+H-H2O]+ 214.912410 131.2
[M+HCOO]- 276.913351 146.3
[M+CH3COO]- 290.929001 147.2
[M+Na-2H]- 252.889816 142.2
[M]+ 231.91460142 152.4
[M]- 231.91569858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.